(PHENYLSULFONYL)ACETONITRILE(7605-28-9) 13C NMR
Molecular FormulaC8H7NO2S
Molecular Weight181.21
InChIInChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
InChIKey ZFCFFNGBCVAUDE-UHFFFAOYSA-N
SmilesC(#N)CS(C1=CC=CC=C1)(=O)=O
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![](https://www.chemicalbook.com/Spectrum/7605-28-9_MS.gif)
Mass
MS-NW-9603
(phenylsulfonyl)acetonitrile
C8H7NO2S (Mass of molecular ion: 181)
Source Temperature: 180 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 2.0
27.0 1.0
39.0 1.6
50.0 5.9
51.0 19.7
74.0 2.0
75.0 1.3
76.0 1.5
77.0 100.0
78.0 7.1
141.0 51.4
142.0 3.9
143.0 2.7
181.0 8.3
182.0 1.1